4,4'-Dihydroxydiphenyl ether

Details

• Internal ID: 79d9ecc3-bf7a-454e-b422-3891edb17408
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Diphenylethers
• IUPAC Name: 4-(4-hydroxyphenoxy)phenol
• SMILES (Canonical): C1=CC(=CC=C1O)OC2=CC=C(C=C2)O
• SMILES (Isomeric): C1=CC(=CC=C1O)OC2=CC=C(C=C2)O
• InChI: InChI=1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
• InChI Key: NZGQHKSLKRFZFL-UHFFFAOYSA-N
• Popularity: 46 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₁₀O₃
• Molecular Weight: 202.21 g/mol
• Exact Mass: 202.062994177 g/mol
• Topological Polar Surface Area (TPSA): 49.70 Ų
• XlogP: 2.00

Synonyms

• 4,4'-Oxydiphenol
• 1965-09-9
• 4-(4-hydroxyphenoxy)phenol
• Phenol, 4,4'-oxybis-
• 4,4-oxydiphenol
• p,p'-Oxydiphenol
• PHENOL, 4,4'-OXYDI-
• Bis(4-hydroxyphenyl) ether
• p-Hydroxyphenyl ether
• quinol ether
• 4,4'-Dihydroxydiphenyl oxide
• Bis(p-hydroxyphenyl) ether
• p-(p-Hydroxyphenoxy)phenol
• 7L83KGH26S
• KUC106452N
• MFCD00016463
• KSC-19-056
• 4,4'-oxybis(phenol)
• 4,4'-Oxybis[phenol]
• p,p'-Oxybisphenol
• 4,4'-Oxybisphenol
• 4,4'-oxybiphenol
• EINECS 217-809-1
• BRN 1875320
• bis(4-hydroxyphenyl)ether
• 4,4-Dihydroxydiphenyl ether
• UNII-7L83KGH26S
• 4-(4-oxidanylphenoxy)phenol
• SCHEMBL18198
• 4,4`-dihydroxydiphenyl ether
• cid_16069
• PHENOL, P,P'-OXYDI-
• PHENOL, P,P'-OXYBIS-
• CHEMBL147060
• DTXSID8022169
• BDBM76095
• Phenol, 4-(4-hydroxy)phenoxy-
• AKOS003632505
• CGA-195935
• AS-17667
• SY004829
• US9688816, C
• D2121
• H10694
• EN300-7386277
• 3-06-00-04408 (Beilstein Handbook Reference)
• A813854
• 4,4 inverted exclamation mark -Dihydroxydiphenyl Ether
• Q27268509
• 4-(4-hydroxyphenoxy)phenol;4,4'-Dihydroxydiphenyl ether

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL242	Q92731	Estrogen receptor beta	92.47%	98.35%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.43%	91.11%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.19%	99.15%
CHEMBL4208	P20618	Proteasome component C5	87.98%	90.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.49%	95.56%
CHEMBL3194	P02766	Transthyretin	82.18%	90.71%

Plants that contains it

• Allium tuberosum

Cross-Links

• PubChem: 16069
• LOTUS: LTS0170672
• wikiData: Q27268509